N-(2-cyanoethyl)-4-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]carbonyl-benzenesulfonamide

Systemtic Name: N-(2-cyanoethyl)-4-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]carbonyl-benzenesulfonamide Openeye Name: N-(2-cyanoethyl)-4-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidine-1-carbonyl]benzenesulfonamide CAS Name: N-(2-cyanoethyl)-4-[[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-pyrrolidinyl]-oxomethyl]benzenesulfonamide IUPAC Name: N-(2-cyanoethyl)-4-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidine-1-carbonyl]benzenesulfonamide Traditional Name: N-(2-cyanoethyl)-4-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidine-1-carbonyl]benzenesulfonamide Formula: C23H25N3O5S MolecularWeight: 455.5267

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C2=CC=C(C=C2)S(=O)(=O)NCCC#N)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

C1CC(N(C1)C(=O)C2=CC=C(C=C2)S(=O)(=O)NCCC#N)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C23H25N3O5S/c24-11-2-12-25-32(28,29)19-8-5-17(6-9-19)23(27)26-13-1-4-20(26)18-7-10-21-22(16-18)31-15-3-14-30-21/h5-10,16,20,25H,1-4,12-15H2